![4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole structure](/static/products/321/321863-31-4.png)
4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole
TL;DR: 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole (CAS 321863-31-4) is a chemical compound with molecular formula C9H5N5O4 and molecular weight 247.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-nitro-3-(1,2-oxazol-4-yl)-1H-pyrazol-5-yl]-1,2-oxazole
Also Known As: BAS 00666405, 4-(5-isoxazol-4-yl-4-nitropyrazol-3-yl)isoxazole, 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole, 4-[4-nitro-3-(1,2-oxazol-4-yl)-1H-pyrazol-5-yl]-1,2-oxazole
| Molecular Formula | C9H5N5O4 |
|---|---|
| Molecular Weight | 247.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.03415 |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 321863-31-4 |
|---|---|
| SMILES | C1=C(C=NO1)C2=C(C(=NN2)C3=CON=C3)[N+](=O)[O-] |
| InChIKey | QYYVMIJWLVHLRL-UHFFFAOYSA-N |
Product Overview
4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole (CAS 321863-31-4), with molecular formula C9H5N5O4 and molecular weight 247.03 g/mol. IUPAC: 4-[4-nitro-3-(1,2-oxazol-4-yl)-1H-pyrazol-5-yl]-1,2-oxazole.
Chemical Property Profile of 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole
Property Insights of 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole. Following Lipinski's Rule of Five, 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole?
The CAS number of 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole is 321863-31-4.
What is the molecular formula of 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole?
The molecular formula of 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole is C9H5N5O4.
What is the molecular weight of 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole?
The molecular weight of 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole is 247.03 g/mol.
Where can I buy 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole?
You can request a quote for 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-nitro-5-(4-isoxazolyl)-1H-pyrazol-3-yl]isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.